CID 22391314

2-(aminomethyl)-5-bromoaniline

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1=CC(=C(C=C1Br)N)CN
InChI
InChI=1S/C7H9BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4,9-10H2
InChIKey
QIQCECRSRHMTQN-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-5-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

199.9949 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 134.4
[M+Na]+ 222.98412 145.7
[M-H]- 198.98762 140.1
[M+NH4]+ 218.02872 156.3
[M+K]+ 238.95806 133.7
[M+H-H2O]+ 182.99216 133.6
[M+HCOO]- 244.99310 157.5
[M+CH3COO]- 259.00875 186.3
[M+Na-2H]- 220.96957 141.4
[M]+ 199.99435 149.3
[M]- 199.99545 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe